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

C11H18N4OS — CID 103382838

IUPAC3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-13-10(16)8-9(12)15-17-11(8)14-6-7-4-2-3-5-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyKDSXHFGFZSAGLE-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.69
Rot. Bonds4

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

3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382838) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382838
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-13-10(16)8-9(12)15-17-11(8)14-6-7-4-2-3-5-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyKDSXHFGFZSAGLE-UHFFFAOYSA-N
XLogP1.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[(3-hydroxycyclopentyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 114148740
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 114107010
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103382838) is 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC1CCCC1.
What is the InChIKey of 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is KDSXHFGFZSAGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-13-10(16)8-9(12)15-17-11(8)14-6-7-4-2-3-5-7/h7,14H,2-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.69, 4 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-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).