N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine

C9H15N3S — CID 112704147

IUPACN,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C2CCCN2)cs1
InChIInChI=1S/C9H15N3S/c1-12(2)9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyXIXDXMUWZPFPSR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.63
Rot. Bonds2

About N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine

N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine (PubChem CID 112704147) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
PubChem CID112704147
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C2CCCN2)cs1
InChIInChI=1S/C9H15N3S/c1-12(2)9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyXIXDXMUWZPFPSR-UHFFFAOYSA-N
XLogP1.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
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-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
CID 154005365

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine (CID 112704147) is N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine is CN(C)c1nc(C2CCCN2)cs1.
What is the InChIKey of N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XIXDXMUWZPFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12(2)9-11-8(6-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine?
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 112704147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).