3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C12H15BrN4OS2 — CID 103378658

IUPAC3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1cc(Br)cs1
InChIInChI=1S/C12H15BrN4OS2/c1-6(2)16-11(18)9-10(14)17-20-12(9)15-4-8-3-7(13)5-19-8/h3,5-6,15H,4H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQLDHODCJZSSKIO-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.30
Rot. Bonds5

About 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103378658) has the molecular formula C12H15BrN4OS2 and a molecular weight of 375.32 g/mol. Its IUPAC name is 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103378658
Molecular FormulaC12H15BrN4OS2
Molecular Weight375.32 g/mol
Exact Mass373.99
IUPAC Name3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1cc(Br)cs1
InChIInChI=1S/C12H15BrN4OS2/c1-6(2)16-11(18)9-10(14)17-20-12(9)15-4-8-3-7(13)5-19-8/h3,5-6,15H,4H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQLDHODCJZSSKIO-UHFFFAOYSA-N
XLogP3.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382606
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106103737
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103378658) is 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCc1cc(Br)cs1.
What is the InChIKey of 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is QLDHODCJZSSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS2/c1-6(2)16-11(18)9-10(14)17-20-12(9)15-4-8-3-7(13)5-19-8/h3,5-6,15H,4H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).