N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C14H17N3O2S2 — CID 40163347

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(=O)N)C(=O)C1=CSC(=N1)C2=CC=CS2
InChIInChI=1S/C14H17N3O2S2/c1-2-3-6-17(8-12(15)18)14(19)10-9-21-13(16-10)11-5-4-7-20-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyDPZJOGHHJLEATI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.30
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 40163347) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID40163347
Molecular FormulaC14H17N3O2S2
Molecular Weight323.40 g/mol
Exact Mass323.08
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(=O)N)C(=O)C1=CSC(=N1)C2=CC=CS2
InChIInChI=1S/C14H17N3O2S2/c1-2-3-6-17(8-12(15)18)14(19)10-9-21-13(16-10)11-5-4-7-20-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyDPZJOGHHJLEATI-UHFFFAOYSA-N
XLogP2.30
TPSA133.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity381

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-thiophenecarboxamide
CID 2738823
N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25095214
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclopropanecarboxamide
CID 2738812
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2532748
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 91800695
N'4-isobutyryl-2-(2-thienyl)-1,3-thiazole-4-carbohydrazide
CID 2743955
US9216962, Cfh325-B
CID 71467629
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide
CID 2738827
1-Methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 2744110
methyl (E)-4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]but-2-enoate
CID 90675747

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 40163347) is N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CCCCN(CC(=O)N)C(=O)C1=CSC(=N1)C2=CC=CS2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DPZJOGHHJLEATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-3-6-17(8-12(15)18)14(19)10-9-21-13(16-10)11-5-4-7-20-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 40163347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).