2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide

C17H19BrN4O2S — CID 154852433

IUPAC2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)NC2(c3ccc(Br)cc3)CCCCC2)s1
InChIInChI=1S/C17H19BrN4O2S/c18-12-6-4-11(5-7-12)17(8-2-1-3-9-17)22-15(24)21-16-20-10-13(25-16)14(19)23/h4-7,10H,1-3,8-9H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyZAJMGDSUEWWIOQ-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.99
Rot. Bonds4

About 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide

2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 154852433) has the molecular formula C17H19BrN4O2S and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID154852433
Molecular FormulaC17H19BrN4O2S
Molecular Weight423.34 g/mol
Exact Mass422.04
IUPAC Name2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)NC2(c3ccc(Br)cc3)CCCCC2)s1
InChIInChI=1S/C17H19BrN4O2S/c18-12-6-4-11(5-7-12)17(8-2-1-3-9-17)22-15(24)21-16-20-10-13(25-16)14(19)23/h4-7,10H,1-3,8-9H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyZAJMGDSUEWWIOQ-UHFFFAOYSA-N
XLogP3.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide (CID 154852433) is 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)NC2(c3ccc(Br)cc3)CCCCC2)s1.
What is the InChIKey of 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is ZAJMGDSUEWWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2S/c18-12-6-4-11(5-7-12)17(8-2-1-3-9-17)22-15(24)21-16-20-10-13(25-16)14(19)23/h4-7,10H,1-3,8-9H2,(H2,19,23)(H2,20,21,22,24).
What are the key properties of 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide?
2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154852433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).