3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide

C11H15N7OS — CID 103384003

IUPAC3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCn2ccnn2)c1C(=O)NC1CC1
InChIInChI=1S/C11H15N7OS/c12-9-8(10(19)15-7-1-2-7)11(20-16-9)13-3-5-18-6-4-14-17-18/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,15,19)
InChIKeyNTYCSSSKHOULBD-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.32
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103384003) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID103384003
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC Name3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCn2ccnn2)c1C(=O)NC1CC1
InChIInChI=1S/C11H15N7OS/c12-9-8(10(19)15-7-1-2-7)11(20-16-9)13-3-5-18-6-4-14-17-18/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,15,19)
InChIKeyNTYCSSSKHOULBD-UHFFFAOYSA-N
XLogP0.32
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 103384003) is 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide is Nc1nsc(NCCn2ccnn2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is NTYCSSSKHOULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c12-9-8(10(19)15-7-1-2-7)11(20-16-9)13-3-5-18-6-4-14-17-18/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,15,19).
What are the key properties of 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).