N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H17Br2N3S — CID 114367537

IUPACN-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1
InChIInChI=1S/C15H17Br2N3S/c1-8(2)18-7-12-13(9-3-4-9)20-15(21-12)14-11(17)5-10(16)6-19-14/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeySVHREKBNEKOXML-UHFFFAOYSA-N
MW431.20 g/mol
LogP5.11
Rot. Bonds5

About N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114367537) has the molecular formula C15H17Br2N3S and a molecular weight of 431.20 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114367537
Molecular FormulaC15H17Br2N3S
Molecular Weight431.20 g/mol
Exact Mass428.95
IUPAC NameN-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1
InChIInChI=1S/C15H17Br2N3S/c1-8(2)18-7-12-13(9-3-4-9)20-15(21-12)14-11(17)5-10(16)6-19-14/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeySVHREKBNEKOXML-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.20
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367037
1-[2-(3,5-dibromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368392
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367481
N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102952854
1-[4-cyclopropyl-2-(3,5-dimethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366921
N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367551
N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367495
N-[[2-(3,5-dibromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363849
N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367294
N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82436832
1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083903
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114367537) is N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is SVHREKBNEKOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3S/c1-8(2)18-7-12-13(9-3-4-9)20-15(21-12)14-11(17)5-10(16)6-19-14/h5-6,8-9,18H,3-4,7H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 431.20 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114367537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).