5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine

C11H18N4S — CID 103360274

IUPAC5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N4S/c1-7-10(12)14-16-11(7)13-8-4-5-15(6-8)9-2-3-9/h8-9,13H,2-6H2,1H3,(H2,12,14)
InChIKeyKPUYXFUVERJBDZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.68
Rot. Bonds3

About 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360274) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360274
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N4S/c1-7-10(12)14-16-11(7)13-8-4-5-15(6-8)9-2-3-9/h8-9,13H,2-6H2,1H3,(H2,12,14)
InChIKeyKPUYXFUVERJBDZ-UHFFFAOYSA-N
XLogP1.68
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103379283
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349002
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642
5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359759
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276901
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103360229

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103360274) is 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CCN(C2CC2)C1.
What is the InChIKey of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is KPUYXFUVERJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-7-10(12)14-16-11(7)13-8-4-5-15(6-8)9-2-3-9/h8-9,13H,2-6H2,1H3,(H2,12,14).
What are the key properties of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 238.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).