N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

C17H23N3OS — CID 120884448

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N(CCN)CCc2ccccc2)cs1
InChIInChI=1S/C17H23N3OS/c1-13(2)16-19-15(12-22-16)17(21)20(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11,18H2,1-2H3
InChIKeyHLJIWALQAXKDHH-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.91
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 120884448) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID120884448
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N(CCN)CCc2ccccc2)cs1
InChIInChI=1S/C17H23N3OS/c1-13(2)16-19-15(12-22-16)17(21)20(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11,18H2,1-2H3
InChIKeyHLJIWALQAXKDHH-UHFFFAOYSA-N
XLogP2.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120884822
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120886811

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 120884448) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)N(CCN)CCc2ccccc2)cs1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HLJIWALQAXKDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13(2)16-19-15(12-22-16)17(21)20(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120884448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).