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

C16H18ClN3O2S — CID 119748052

IUPAC2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cs1
InChIInChI=1S/C16H18ClN3O2S/c17-12-7-10(5-6-14(12)22-11-3-1-2-4-11)19-16(21)13-9-23-15(8-18)20-13/h5-7,9,11H,1-4,8,18H2,(H,19,21)
InChIKeyWTTVELUANTYOHE-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.83
Rot. Bonds5

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

2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119748052) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119748052
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cs1
InChIInChI=1S/C16H18ClN3O2S/c17-12-7-10(5-6-14(12)22-11-3-1-2-4-11)19-16(21)13-9-23-15(8-18)20-13/h5-7,9,11H,1-4,8,18H2,(H,19,21)
InChIKeyWTTVELUANTYOHE-UHFFFAOYSA-N
XLogP3.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide (CID 119748052) is 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WTTVELUANTYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-12-7-10(5-6-14(12)22-11-3-1-2-4-11)19-16(21)13-9-23-15(8-18)20-13/h5-7,9,11H,1-4,8,18H2,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119748052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).