2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C15H18N4OS — CID 66388889

IUPAC2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(Cc2ccncc2)C2CC2)cs1
InChIInChI=1S/C15H18N4OS/c1-10(16)14-18-13(9-21-14)15(20)19(12-2-3-12)8-11-4-6-17-7-5-11/h4-7,9-10,12H,2-3,8,16H2,1H3
InChIKeyAHZQTKZEFCGDNJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds5

About 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388889) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388889
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(Cc2ccncc2)C2CC2)cs1
InChIInChI=1S/C15H18N4OS/c1-10(16)14-18-13(9-21-14)15(20)19(12-2-3-12)8-11-4-6-17-7-5-11/h4-7,9-10,12H,2-3,8,16H2,1H3
InChIKeyAHZQTKZEFCGDNJ-UHFFFAOYSA-N
XLogP2.36
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65199839
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66388889) is 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(Cc2ccncc2)C2CC2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AHZQTKZEFCGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(16)14-18-13(9-21-14)15(20)19(12-2-3-12)8-11-4-6-17-7-5-11/h4-7,9-10,12H,2-3,8,16H2,1H3.
What are the key properties of 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).