N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine

C10H15ClN2S — CID 114757524

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
SMILESClCCC1(CNCc2nccs2)CC1
InChIInChI=1S/C10H15ClN2S/c11-4-3-10(1-2-10)8-12-7-9-13-5-6-14-9/h5-6,12H,1-4,7-8H2
InChIKeyDAVIEQANTIVTJV-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.64
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 114757524) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
PubChem CID114757524
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
SMILESClCCC1(CNCc2nccs2)CC1
InChIInChI=1S/C10H15ClN2S/c11-4-3-10(1-2-10)8-12-7-9-13-5-6-14-9/h5-6,12H,1-4,7-8H2
InChIKeyDAVIEQANTIVTJV-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 107267632
(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine
CID 155266326
1-(1,3-benzothiazol-2-yl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]methanamine
CID 114757501
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine (CID 114757524) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine is ClCCC1(CNCc2nccs2)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is DAVIEQANTIVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-4-3-10(1-2-10)8-12-7-9-13-5-6-14-9/h5-6,12H,1-4,7-8H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 230.76 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 114757524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).