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

C14H13BrN4S2 — CID 103361301

IUPAC5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cc(Br)cs1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H13BrN4S2/c1-19(7-11-5-10(15)8-20-11)14-12(13(16)18-21-14)9-3-2-4-17-6-9/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyDRWPDHVNXLSCTQ-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.25
Rot. Bonds4

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

5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361301) has the molecular formula C14H13BrN4S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103361301
Molecular FormulaC14H13BrN4S2
Molecular Weight381.32 g/mol
Exact Mass379.98
IUPAC Name5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cc(Br)cs1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H13BrN4S2/c1-19(7-11-5-10(15)8-20-11)14-12(13(16)18-21-14)9-3-2-4-17-6-9/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyDRWPDHVNXLSCTQ-UHFFFAOYSA-N
XLogP4.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360550
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360771
5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360693
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360759
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
3-(4-bromothiophen-2-yl)pyridine
CID 22180781
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103361301) is 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CN(Cc1cc(Br)cs1)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is DRWPDHVNXLSCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S2/c1-19(7-11-5-10(15)8-20-11)14-12(13(16)18-21-14)9-3-2-4-17-6-9/h2-6,8H,7H2,1H3,(H2,16,18).
What are the key properties of 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 381.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).