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

C14H19N5S2 — CID 103349002

IUPAC5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C14H19N5S2/c1-8-7-20-13(16-8)11-12(15)18-21-14(11)17-9-4-5-19(6-9)10-2-3-10/h7,9-10,17H,2-6H2,1H3,(H2,15,18)
InChIKeyHSIWWTXOWAFRHF-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.81
Rot. Bonds4

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

5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349002) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349002
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C14H19N5S2/c1-8-7-20-13(16-8)11-12(15)18-21-14(11)17-9-4-5-19(6-9)10-2-3-10/h7,9-10,17H,2-6H2,1H3,(H2,15,18)
InChIKeyHSIWWTXOWAFRHF-UHFFFAOYSA-N
XLogP2.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(3-methylcyclopentyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349818
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103360274
5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349523
3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103379283
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol
CID 103349385
5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol
CID 103349878
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349113
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349814

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349002) is 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NC2CCN(C3CC3)C2)n1.
What is the InChIKey of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is HSIWWTXOWAFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-8-7-20-13(16-8)11-12(15)18-21-14(11)17-9-4-5-19(6-9)10-2-3-10/h7,9-10,17H,2-6H2,1H3,(H2,15,18).
What are the key properties of 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 321.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).