1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine

C9H15N3S — CID 127015558

IUPAC1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
SMILESCN(Cc1nccs1)C1CC(N)C1
InChIInChI=1S/C9H15N3S/c1-12(8-4-7(10)5-8)6-9-11-2-3-13-9/h2-3,7-8H,4-6,10H2,1H3
InChIKeyRSDDKBHCFBCKCS-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.06
Rot. Bonds3

About 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine

1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine (PubChem CID 127015558) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
PubChem CID127015558
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
SMILESCN(Cc1nccs1)C1CC(N)C1
InChIInChI=1S/C9H15N3S/c1-12(8-4-7(10)5-8)6-9-11-2-3-13-9/h2-3,7-8H,4-6,10H2,1H3
InChIKeyRSDDKBHCFBCKCS-UHFFFAOYSA-N
XLogP1.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 119891599
(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 155506112
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
CID 80561789
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110715902
4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 165491533
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
CID 110715903
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
1-N,1-N,2-N-trimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 75482753

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine (CID 127015558) is 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine is CN(Cc1nccs1)C1CC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine?
The InChIKey is RSDDKBHCFBCKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12(8-4-7(10)5-8)6-9-11-2-3-13-9/h2-3,7-8H,4-6,10H2,1H3.
What are the key properties of 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine?
1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine has a molecular weight of 197.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 127015558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).