2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide

C13H19N5O2S — CID 58958459

IUPAC2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNC1CCN(C(=O)Nc2ncc(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C13H19N5O2S/c14-8-3-5-18(6-4-8)13(20)17-12-15-7-10(21-12)11(19)16-9-1-2-9/h7-9H,1-6,14H2,(H,16,19)(H,15,17,20)
InChIKeyBNURJNDEUFSXAV-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.99
Rot. Bonds3

About 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide

2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 58958459) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID58958459
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNC1CCN(C(=O)Nc2ncc(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C13H19N5O2S/c14-8-3-5-18(6-4-8)13(20)17-12-15-7-10(21-12)11(19)16-9-1-2-9/h7-9H,1-6,14H2,(H,16,19)(H,15,17,20)
InChIKeyBNURJNDEUFSXAV-UHFFFAOYSA-N
XLogP0.99
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide (CID 58958459) is 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide is NC1CCN(C(=O)Nc2ncc(C(=O)NC3CC3)s2)CC1.
What is the InChIKey of 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is BNURJNDEUFSXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c14-8-3-5-18(6-4-8)13(20)17-12-15-7-10(21-12)11(19)16-9-1-2-9/h7-9H,1-6,14H2,(H,16,19)(H,15,17,20).
What are the key properties of 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopiperidine-1-carbonyl)amino]-N-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58958459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).