4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C12H19N3S — CID 103359088

IUPAC4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2C2CC2)CC1C
InChIInChI=1S/C12H19N3S/c1-7-5-15(6-8(7)2)12-10(9-3-4-9)11(13)14-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyVIIPVJZKZUKZQU-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.69
Rot. Bonds2

About 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine

4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103359088) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103359088
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2C2CC2)CC1C
InChIInChI=1S/C12H19N3S/c1-7-5-15(6-8(7)2)12-10(9-3-4-9)11(13)14-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyVIIPVJZKZUKZQU-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360597
4-cyclopropyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360707
4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361149
4-Cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363223
4-Cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363229
4-Cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363235
4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363599
4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364109
4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364766
4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364951
4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365693

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103359088) is 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is CC1CN(c2snc(N)c2C2CC2)CC1C.
What is the InChIKey of 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is VIIPVJZKZUKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-7-5-15(6-8(7)2)12-10(9-3-4-9)11(13)14-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(3,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103359088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).