2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide

C9H13N3OS — CID 21365763

IUPAC2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1c1nc(C(N)=O)cs1
InChIInChI=1S/C9H13N3OS/c1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13/h5,7H,2-4H2,1H3,(H2,10,13)
InChIKeyVRVMJMGMMOOWFR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.01
Rot. Bonds2

About 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide

2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 21365763) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID21365763
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCCC1c1nc(C(N)=O)cs1
InChIInChI=1S/C9H13N3OS/c1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13/h5,7H,2-4H2,1H3,(H2,10,13)
InChIKeyVRVMJMGMMOOWFR-UHFFFAOYSA-N
XLogP1.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377169
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53515031
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-azepanamine
CID 56908129
N-{(3S*,4R*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinyl}acetamide
CID 70786097
(3R*,4S*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinamine
CID 86283718
Tert-butyl 2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylate
CID 485046
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
2-(2-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 3890422
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992
2-[6-(4-Carbamoyl-1,3-thiazol-2-yl)hexyl]-1,3-thiazole-4-carboxamide
CID 370578

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide (CID 21365763) is 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide is CN1CCCC1c1nc(C(N)=O)cs1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VRVMJMGMMOOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13/h5,7H,2-4H2,1H3,(H2,10,13).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 21365763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).