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

C15H18BrN3S — CID 114367294

IUPACN-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2ccc(Br)cn2)nc1C1CC1
InChIInChI=1S/C15H18BrN3S/c1-2-7-17-9-13-14(10-3-4-10)19-15(20-13)12-6-5-11(16)8-18-12/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyCYMNAVURCVHGQG-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.34
Rot. Bonds6

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

N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114367294) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114367294
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC NameN-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2ccc(Br)cn2)nc1C1CC1
InChIInChI=1S/C15H18BrN3S/c1-2-7-17-9-13-14(10-3-4-10)19-15(20-13)12-6-5-11(16)8-18-12/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyCYMNAVURCVHGQG-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[[2-(5-bromothiophen-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367320
N-[[4-cyclopropyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367341
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367264
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367130
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
N-[[4-cyclopropyl-2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367335
N-[[2-(3-bromo-4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367364
N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107504464
N-[[4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367354
N-[[4-cyclopropyl-2-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367361
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436239
N-[(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436305

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114367294) is N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2ccc(Br)cn2)nc1C1CC1.
What is the InChIKey of N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is CYMNAVURCVHGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-2-7-17-9-13-14(10-3-4-10)19-15(20-13)12-6-5-11(16)8-18-12/h5-6,8,10,17H,2-4,7,9H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 352.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114367294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).