N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine

C14H16N2S — CID 63078293

IUPACN-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(C2(c3ccccc3)CC2)s1
InChIInChI=1S/C14H16N2S/c1-15-9-12-10-16-13(17-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyDNDGQDIANGBLMI-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.94
Rot. Bonds4

About N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63078293) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID63078293
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(C2(c3ccccc3)CC2)s1
InChIInChI=1S/C14H16N2S/c1-15-9-12-10-16-13(17-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyDNDGQDIANGBLMI-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
CID 63079340
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116774317
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
2-(4-phenyloxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 63081854
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
2-(chloromethyl)-5-(1-phenylcyclopropyl)-1,3-oxazole
CID 65179918
[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine
CID 65180076
N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63078652
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751388

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine (CID 63078293) is N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(C2(c3ccccc3)CC2)s1.
What is the InChIKey of N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DNDGQDIANGBLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-15-9-12-10-16-13(17-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).