2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide

C14H21N3OS — CID 66388619

IUPAC2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(C2CC2)C2CC2)cs1
InChIInChI=1S/C14H21N3OS/c15-6-5-13-17-12(8-19-13)14(18)16-7-11(9-1-2-9)10-3-4-10/h8-11H,1-7,15H2,(H,16,18)
InChIKeyIUWNTGGZNSWQRQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.81
Rot. Bonds7

About 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388619) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388619
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(C2CC2)C2CC2)cs1
InChIInChI=1S/C14H21N3OS/c15-6-5-13-17-12(8-19-13)14(18)16-7-11(9-1-2-9)10-3-4-10/h8-11H,1-7,15H2,(H,16,18)
InChIKeyIUWNTGGZNSWQRQ-UHFFFAOYSA-N
XLogP1.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81073673
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
2-[[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475581
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(2-aminoethyl)-N-[2-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide (CID 66388619) is 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC(C2CC2)C2CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IUWNTGGZNSWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c15-6-5-13-17-12(8-19-13)14(18)16-7-11(9-1-2-9)10-3-4-10/h8-11H,1-7,15H2,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).