N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C15H13BrN2OS3 — CID 55427148

IUPACN-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H13BrN2OS3/c1-9-13(22-14(17-9)10-5-6-20-8-10)15(19)18(2)7-11-3-4-12(16)21-11/h3-6,8H,7H2,1-2H3
InChIKeyKZZRPEVSEGOUAX-UHFFFAOYSA-N
MW413.39 g/mol
LogP5.28
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 55427148) has the molecular formula C15H13BrN2OS3 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID55427148
Molecular FormulaC15H13BrN2OS3
Molecular Weight413.39 g/mol
Exact Mass411.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H13BrN2OS3/c1-9-13(22-14(17-9)10-5-6-20-8-10)15(19)18(2)7-11-3-4-12(16)21-11/h3-6,8H,7H2,1-2H3
InChIKeyKZZRPEVSEGOUAX-UHFFFAOYSA-N
XLogP5.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8530363
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 27863937
N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41437625
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31839852
N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38259366
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 55427148) is N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KZZRPEVSEGOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS3/c1-9-13(22-14(17-9)10-5-6-20-8-10)15(19)18(2)7-11-3-4-12(16)21-11/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).