N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine

C8H13N3S — CID 72942833

IUPACN-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCNc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C8H13N3S/c1-9-8-11-7(5-12-8)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyOVWHHUPRVQIRGU-LURJTMIESA-N
MW183.28 g/mol
LogP1.61
Rot. Bonds2

About N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine

N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 72942833) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID72942833
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCNc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C8H13N3S/c1-9-8-11-7(5-12-8)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyOVWHHUPRVQIRGU-LURJTMIESA-N
XLogP1.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide
CID 132648757
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928728
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 72942833) is N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine is CNc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is OVWHHUPRVQIRGU-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3S/c1-9-8-11-7(5-12-8)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine?
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72942833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).