3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

C13H20N4OS — CID 103382836

IUPAC3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCC2CCCC2)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4OS/c14-11-10(12(18)16-9-5-6-9)13(19-17-11)15-7-8-3-1-2-4-8/h8-9,15H,1-7H2,(H2,14,17)(H,16,18)
InChIKeyTWSNQLLRPNALJS-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103382836) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103382836
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCC2CCCC2)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4OS/c14-11-10(12(18)16-9-5-6-9)13(19-17-11)15-7-8-3-1-2-4-8/h8-9,15H,1-7H2,(H2,14,17)(H,16,18)
InChIKeyTWSNQLLRPNALJS-UHFFFAOYSA-N
XLogP2.22
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103382836) is 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is Nc1nsc(NCC2CCCC2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is TWSNQLLRPNALJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-11-10(12(18)16-9-5-6-9)13(19-17-11)15-7-8-3-1-2-4-8/h8-9,15H,1-7H2,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).