N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine

C9H14N2S2 — CID 130616420

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine
SMILESCc1nc(C)c(CNC2CSC2)s1
InChIInChI=1S/C9H14N2S2/c1-6-9(13-7(2)11-6)3-10-8-4-12-5-8/h8,10H,3-5H2,1-2H3
InChIKeyXJESFIGLHGLZRL-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.96
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine (PubChem CID 130616420) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine
PubChem CID130616420
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine
SMILESCc1nc(C)c(CNC2CSC2)s1
InChIInChI=1S/C9H14N2S2/c1-6-9(13-7(2)11-6)3-10-8-4-12-5-8/h8,10H,3-5H2,1-2H3
InChIKeyXJESFIGLHGLZRL-UHFFFAOYSA-N
XLogP1.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965734
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 64540999
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 64542086
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64541204
N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 64542073
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71795572
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 64539534

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine (CID 130616420) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine is Cc1nc(C)c(CNC2CSC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine?
The InChIKey is XJESFIGLHGLZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-6-9(13-7(2)11-6)3-10-8-4-12-5-8/h8,10H,3-5H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine has a molecular weight of 214.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine is sourced from PubChem (CID 130616420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).