5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine

C12H11BrN4S3 — CID 103378654

IUPAC5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NCc2cc(Br)cs2)cs1
InChIInChI=1S/C12H11BrN4S3/c1-6-16-9(5-18-6)10-11(14)17-20-12(10)15-3-8-2-7(13)4-19-8/h2,4-5,15H,3H2,1H3,(H2,14,17)
InChIKeyGEUFNXDPNQVAAB-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.59
Rot. Bonds4

About 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine

5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103378654) has the molecular formula C12H11BrN4S3 and a molecular weight of 387.35 g/mol. Its IUPAC name is 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103378654
Molecular FormulaC12H11BrN4S3
Molecular Weight387.35 g/mol
Exact Mass385.93
IUPAC Name5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NCc2cc(Br)cs2)cs1
InChIInChI=1S/C12H11BrN4S3/c1-6-16-9(5-18-6)10-11(14)17-20-12(10)15-3-8-2-7(13)4-19-8/h2,4-5,15H,3H2,1H3,(H2,14,17)
InChIKeyGEUFNXDPNQVAAB-UHFFFAOYSA-N
XLogP4.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
CID 106249139
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
CID 103384097
3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378658
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (CID 103378654) is 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NCc2cc(Br)cs2)cs1.
What is the InChIKey of 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is GEUFNXDPNQVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S3/c1-6-16-9(5-18-6)10-11(14)17-20-12(10)15-3-8-2-7(13)4-19-8/h2,4-5,15H,3H2,1H3,(H2,14,17).
What are the key properties of 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 387.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).