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

C10H16ClN3OS — CID 119514702

IUPAC2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-7-12-6-9(15-7)10(14)13-5-8-3-2-4-11-8;/h6,8,11H,2-5H2,1H3,(H,13,14);1H
InChIKeyGNSHHMPPLXFNFW-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.36
Rot. Bonds3

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

2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119514702) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119514702
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-7-12-6-9(15-7)10(14)13-5-8-3-2-4-11-8;/h6,8,11H,2-5H2,1H3,(H,13,14);1H
InChIKeyGNSHHMPPLXFNFW-UHFFFAOYSA-N
XLogP1.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031322
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119511510
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490
3-amino-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119509819
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 119514702) is 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ncc(C(=O)NCC2CCCN2)s1.Cl.
What is the InChIKey of 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GNSHHMPPLXFNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c1-7-12-6-9(15-7)10(14)13-5-8-3-2-4-11-8;/h6,8,11H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119514702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).