N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide

C16H21N5O2S — CID 138025739

IUPACN-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCC(Cc3nc(C)cs3)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-24-15(18-11)7-12-4-6-21(8-12)16(22)20-13-3-5-17-14(19-13)9-23-2/h3,5,10,12H,4,6-9H2,1-2H3,(H,17,19,20,22)
InChIKeyKMRVJFOOTJAYON-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide

N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 138025739) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID138025739
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCC(Cc3nc(C)cs3)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-24-15(18-11)7-12-4-6-21(8-12)16(22)20-13-3-5-17-14(19-13)9-23-2/h3,5,10,12H,4,6-9H2,1-2H3,(H,17,19,20,22)
InChIKeyKMRVJFOOTJAYON-UHFFFAOYSA-N
XLogP2.48
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxy-6-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 154780813
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 136553465
N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide
CID 136553466
3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
CID 138022710
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone
CID 166269421
5-[(3R)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 164643198
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 138054403
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97009956

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 138025739) is N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide is COCc1nccc(NC(=O)N2CCC(Cc3nc(C)cs3)C2)n1.
What is the InChIKey of N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KMRVJFOOTJAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-10-24-15(18-11)7-12-4-6-21(8-12)16(22)20-13-3-5-17-14(19-13)9-23-2/h3,5,10,12H,4,6-9H2,1-2H3,(H,17,19,20,22).
What are the key properties of N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).