N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C14H12BrN3S2 — CID 1068397

IUPACN-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1
InChIInChI=1S/C14H12BrN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyIZBTWVSMTCJNEK-UHFFFAOYSA-N
MW366.31 g/mol
LogP5.39
Rot. Bonds3

About N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 1068397) has the molecular formula C14H12BrN3S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID1068397
Molecular FormulaC14H12BrN3S2
Molecular Weight366.31 g/mol
Exact Mass364.97
IUPAC NameN-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1
InChIInChI=1S/C14H12BrN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyIZBTWVSMTCJNEK-UHFFFAOYSA-N
XLogP5.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.31
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
N-[5-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 1186941
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
CID 1632898
N-(3-bromophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide
CID 16196866
N-[4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-acetamide
CID 2877744
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1092471
4'-Methyl-N2-phenyl-[4,5'-bithiazole]-2,2'-diamine
CID 2866410
4-[2-(2-Bromo-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9867086
N-(4-Bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 2185383
N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 3112396

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 1068397) is N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1.
What is the InChIKey of N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is IZBTWVSMTCJNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 366.31 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1068397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).