N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C10H16N4OS — CID 56749844

IUPACN-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@@H]2CC[C@@H](N)C2)cs1
InChIInChI=1S/C10H16N4OS/c1-12-10-14-8(5-16-10)9(15)13-7-3-2-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1
InChIKeyPLVJTRMEBSRVRL-RNFRBKRXSA-N
MW240.33 g/mol
LogP0.79
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 56749844) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID56749844
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@@H]2CC[C@@H](N)C2)cs1
InChIInChI=1S/C10H16N4OS/c1-12-10-14-8(5-16-10)9(15)13-7-3-2-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1
InChIKeyPLVJTRMEBSRVRL-RNFRBKRXSA-N
XLogP0.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 56749844) is N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)N[C@@H]2CC[C@@H](N)C2)cs1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PLVJTRMEBSRVRL-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-12-10-14-8(5-16-10)9(15)13-7-3-2-6(11)4-7/h5-7H,2-4,11H2,1H3,(H,12,14)(H,13,15)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56749844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).