2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide

C11H17N3O2S — CID 114118049

IUPAC2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCOC1CCC(NC(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-16-8-3-2-7(4-8)13-11(15)9-6-17-10(5-12)14-9/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyZRWTUMZJPNGLSP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.90
Rot. Bonds4

About 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 114118049) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
PubChem CID114118049
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCOC1CCC(NC(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H17N3O2S/c1-16-8-3-2-7(4-8)13-11(15)9-6-17-10(5-12)14-9/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyZRWTUMZJPNGLSP-UHFFFAOYSA-N
XLogP0.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380921
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229809
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide (CID 114118049) is 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide is COC1CCC(NC(=O)c2csc(CN)n2)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZRWTUMZJPNGLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-8-3-2-7(4-8)13-11(15)9-6-17-10(5-12)14-9/h6-8H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114118049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).