1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C12H14BrN3OS2 — CID 47247496

IUPAC1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C12H14BrN3OS2/c1-8-6-19-11(15-8)4-14-12(17)16(2)5-10-3-9(13)7-18-10/h3,6-7H,4-5H2,1-2H3,(H,14,17)
InChIKeyOAKMWBBJAAWBBY-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.62
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 47247496) has the molecular formula C12H14BrN3OS2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID47247496
Molecular FormulaC12H14BrN3OS2
Molecular Weight360.30 g/mol
Exact Mass358.98
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C12H14BrN3OS2/c1-8-6-19-11(15-8)4-14-12(17)16(2)5-10-3-9(13)7-18-10/h3,6-7H,4-5H2,1-2H3,(H,14,17)
InChIKeyOAKMWBBJAAWBBY-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea with MolForge

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Related Compounds

2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
1-[(4-bromothiophen-2-yl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 47236407
1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 155955565
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 54962820
(2S)-3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 114007343
2-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220827
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109943
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043383
4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 51291417

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 47247496) is 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)N(C)Cc2cc(Br)cs2)n1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is OAKMWBBJAAWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS2/c1-8-6-19-11(15-8)4-14-12(17)16(2)5-10-3-9(13)7-18-10/h3,6-7H,4-5H2,1-2H3,(H,14,17).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 360.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 47247496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).