3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H24N4OS — CID 107421532

IUPAC3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCCC1C
InChIInChI=1S/C14H24N4OS/c1-8(2)17-13(19)11-12(15)18-20-14(11)16-7-10-6-4-5-9(10)3/h8-10,16H,4-7H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyFEQUVEVKMZRVKV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 107421532) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID107421532
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCCC1C
InChIInChI=1S/C14H24N4OS/c1-8(2)17-13(19)11-12(15)18-20-14(11)16-7-10-6-4-5-9(10)3/h8-10,16H,4-7H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyFEQUVEVKMZRVKV-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 107421532) is 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC1CCCC1C.
What is the InChIKey of 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is FEQUVEVKMZRVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-8(2)17-13(19)11-12(15)18-20-14(11)16-7-10-6-4-5-9(10)3/h8-10,16H,4-7H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 107421532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).