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

C9H14N2S2 — CID 107267632

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
SMILESCSC1(CNCc2nccs2)CC1
InChIInChI=1S/C9H14N2S2/c1-12-9(2-3-9)7-10-6-8-11-4-5-13-8/h4-5,10H,2-3,6-7H2,1H3
InChIKeyPBBVWORMDLVWIV-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.13
Rot. Bonds5

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

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 107267632) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
PubChem CID107267632
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
SMILESCSC1(CNCc2nccs2)CC1
InChIInChI=1S/C9H14N2S2/c1-12-9(2-3-9)7-10-6-8-11-4-5-13-8/h4-5,10H,2-3,6-7H2,1H3
InChIKeyPBBVWORMDLVWIV-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 114757524
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107269986
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine (CID 107267632) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine is CSC1(CNCc2nccs2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is PBBVWORMDLVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-12-9(2-3-9)7-10-6-8-11-4-5-13-8/h4-5,10H,2-3,6-7H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 214.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 107267632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).