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

C17H21BrN2S — CID 114367481

IUPACN-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(Cc2ccc(Br)cc2)nc1C1CC1
InChIInChI=1S/C17H21BrN2S/c1-11(2)19-10-15-17(13-5-6-13)20-16(21-15)9-12-3-7-14(18)8-4-12/h3-4,7-8,11,13,19H,5-6,9-10H2,1-2H3
InChIKeyTXMZGXODVUCBEE-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.87
Rot. Bonds6

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

N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114367481) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114367481
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC NameN-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(Cc2ccc(Br)cc2)nc1C1CC1
InChIInChI=1S/C17H21BrN2S/c1-11(2)19-10-15-17(13-5-6-13)20-16(21-15)9-12-3-7-14(18)8-4-12/h3-4,7-8,11,13,19H,5-6,9-10H2,1-2H3
InChIKeyTXMZGXODVUCBEE-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82436832
N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367537
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150652
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
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-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114367481) is N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(Cc2ccc(Br)cc2)nc1C1CC1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is TXMZGXODVUCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-11(2)19-10-15-17(13-5-6-13)20-16(21-15)9-12-3-7-14(18)8-4-12/h3-4,7-8,11,13,19H,5-6,9-10H2,1-2H3.
What are the key properties of N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 365.34 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114367481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).