N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C12H19N3O2S — CID 114031322

IUPACN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(CCO)CC2CCCN2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-14-7-11(18-9)12(17)15(5-6-16)8-10-3-2-4-13-10/h7,10,13,16H,2-6,8H2,1H3
InChIKeyCNVLUPRWQNXMHF-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.64
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 114031322) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID114031322
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(CCO)CC2CCCN2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-14-7-11(18-9)12(17)15(5-6-16)8-10-3-2-4-13-10/h7,10,13,16H,2-6,8H2,1H3
InChIKeyCNVLUPRWQNXMHF-UHFFFAOYSA-N
XLogP0.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119514702
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
2-ethyl-N-(2-hydroxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106612708
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031326
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821
N-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106609110
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 114031322) is N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)N(CCO)CC2CCCN2)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CNVLUPRWQNXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-14-7-11(18-9)12(17)15(5-6-16)8-10-3-2-4-13-10/h7,10,13,16H,2-6,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114031322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).