N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H17N3O3S2 — CID 59818325

IUPACN-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C20H17N3O3S2/c24-10-5-9-23(19(25)18-8-4-11-27-18)20-21-16(13-28-20)17-12-15(22-26-17)14-6-2-1-3-7-14/h1-4,6-8,11-13,24H,5,9-10H2
InChIKeyTWFPGCKNSNHNMR-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.56
Rot. Bonds7

About N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 59818325) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID59818325
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C20H17N3O3S2/c24-10-5-9-23(19(25)18-8-4-11-27-18)20-21-16(13-28-20)17-12-15(22-26-17)14-6-2-1-3-7-14/h1-4,6-8,11-13,24H,5,9-10H2
InChIKeyTWFPGCKNSNHNMR-UHFFFAOYSA-N
XLogP4.56
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 143187497
N-(3,3-diethoxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 59818326
N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide
CID 68862277
(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide
CID 59818327
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
(2S)-N-(2-hydroxyethyl)-1-[3-[[4-(3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide
CID 69270575
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 67549751
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3189646
3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3189544

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 59818325) is N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(c1cccs1)N(CCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is TWFPGCKNSNHNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c24-10-5-9-23(19(25)18-8-4-11-27-18)20-21-16(13-28-20)17-12-15(22-26-17)14-6-2-1-3-7-14/h1-4,6-8,11-13,24H,5,9-10H2.
What are the key properties of N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59818325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).