(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid

C16H19N5O4S — CID 118278693

IUPAC(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCc1nsc(N)c1C(=O)Nc1ccc(OC[C@H]2CCN(C(=O)O)C2)nc1
InChIInChI=1S/C16H19N5O4S/c1-9-13(14(17)26-20-9)15(22)19-11-2-3-12(18-6-11)25-8-10-4-5-21(7-10)16(23)24/h2-3,6,10H,4-5,7-8,17H2,1H3,(H,19,22)(H,23,24)/t10-/m0/s1
InChIKeyJGTZSVNRWHONNR-JTQLQIEISA-N
MW377.43 g/mol
LogP2.06
Rot. Bonds5

About (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid

(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 118278693) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID118278693
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCc1nsc(N)c1C(=O)Nc1ccc(OC[C@H]2CCN(C(=O)O)C2)nc1
InChIInChI=1S/C16H19N5O4S/c1-9-13(14(17)26-20-9)15(22)19-11-2-3-12(18-6-11)25-8-10-4-5-21(7-10)16(23)24/h2-3,6,10H,4-5,7-8,17H2,1H3,(H,19,22)(H,23,24)/t10-/m0/s1
InChIKeyJGTZSVNRWHONNR-JTQLQIEISA-N
XLogP2.06
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[[5-[(5-amino-3-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 118672211
tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 118284834
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472
tert-butyl 4-[[5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 118278989
N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123942464
3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278620
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284821
[4-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]phenyl]methanesulfinate
CID 174836879
(3R)-4-[2-[[5-(methoxycarbonylamino)-2-pyridinyl]oxy]ethyl]-3,5-dimethylpiperazine-1-carboxylic acid
CID 175519586
(3R)-3-[[6-(4-cyanophenyl)-5-(4-methylphenyl)pyrazin-2-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 118644244
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid (CID 118278693) is (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid is Cc1nsc(N)c1C(=O)Nc1ccc(OC[C@H]2CCN(C(=O)O)C2)nc1.
What is the InChIKey of (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is JGTZSVNRWHONNR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-9-13(14(17)26-20-9)15(22)19-11-2-3-12(18-6-11)25-8-10-4-5-21(7-10)16(23)24/h2-3,6,10H,4-5,7-8,17H2,1H3,(H,19,22)(H,23,24)/t10-/m0/s1.
What are the key properties of (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid?
(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 377.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118278693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).