N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide

C25H39N5O3S — CID 5133696

IUPACN-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1csc(CN(C(=O)Nc2ccc(OC)cc2)C(C)C)n1
InChIInChI=1S/C25H39N5O3S/c1-7-29(8-2)15-9-10-19(5)26-24(31)22-17-34-23(28-22)16-30(18(3)4)25(32)27-20-11-13-21(33-6)14-12-20/h11-14,17-19H,7-10,15-16H2,1-6H3,(H,26,31)(H,27,32)
InChIKeyJXILTWFDXANWET-UHFFFAOYSA-N
MW489.69 g/mol
LogP4.83
Rot. Bonds13

About N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 5133696) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID5133696
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1csc(CN(C(=O)Nc2ccc(OC)cc2)C(C)C)n1
InChIInChI=1S/C25H39N5O3S/c1-7-29(8-2)15-9-10-19(5)26-24(31)22-17-34-23(28-22)16-30(18(3)4)25(32)27-20-11-13-21(33-6)14-12-20/h11-14,17-19H,7-10,15-16H2,1-6H3,(H,26,31)(H,27,32)
InChIKeyJXILTWFDXANWET-UHFFFAOYSA-N
XLogP4.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 3940290
2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 3523132
N-[5-(diethylamino)pentan-2-yl]-2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 4208168
2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 1199747
N-butan-2-yl-2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 3991841
N-[(2S)-butan-2-yl]-2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 1199385
2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196095
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 4529382
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 4693411
N-[5-(diethylamino)pentan-2-yl]-2-[[(2,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4059973
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
CID 1199713

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide (CID 5133696) is N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1csc(CN(C(=O)Nc2ccc(OC)cc2)C(C)C)n1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JXILTWFDXANWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O3S/c1-7-29(8-2)15-9-10-19(5)26-24(31)22-17-34-23(28-22)16-30(18(3)4)25(32)27-20-11-13-21(33-6)14-12-20/h11-14,17-19H,7-10,15-16H2,1-6H3,(H,26,31)(H,27,32).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 489.69 g/mol, XLogP of 4.83, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).