N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride

C8H14Cl2N2S — CID 56773659

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
SMILESCc1cnc(CNC2CC2)s1.Cl.Cl
InChIInChI=1S/C8H12N2S.2ClH/c1-6-4-10-8(11-6)5-9-7-2-3-7;;/h4,7,9H,2-3,5H2,1H3;2*1H
InChIKeyLMGMBVKLBDSCJS-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.55
Rot. Bonds3

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride (PubChem CID 56773659) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
PubChem CID56773659
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
SMILESCc1cnc(CNC2CC2)s1.Cl.Cl
InChIInChI=1S/C8H12N2S.2ClH/c1-6-4-10-8(11-6)5-9-7-2-3-7;;/h4,7,9H,2-3,5H2,1H3;2*1H
InChIKeyLMGMBVKLBDSCJS-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 124731701
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115886422

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride (CID 56773659) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride is Cc1cnc(CNC2CC2)s1.Cl.Cl.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride?
The InChIKey is LMGMBVKLBDSCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH/c1-6-4-10-8(11-6)5-9-7-2-3-7;;/h4,7,9H,2-3,5H2,1H3;2*1H.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride is sourced from PubChem (CID 56773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).