N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C11H16N2S — CID 115757840

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESc1nc(CNCC2(C3CC3)CC2)cs1
InChIInChI=1S/C11H16N2S/c1-2-9(1)11(3-4-11)7-12-5-10-6-14-8-13-10/h6,8-9,12H,1-5,7H2
InChIKeyIWBWGYATPQNOSV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.42
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 115757840) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID115757840
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESc1nc(CNCC2(C3CC3)CC2)cs1
InChIInChI=1S/C11H16N2S/c1-2-9(1)11(3-4-11)7-12-5-10-6-14-8-13-10/h6,8-9,12H,1-5,7H2
InChIKeyIWBWGYATPQNOSV-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 64553638
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 114095896
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103953751
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 115757779
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 115757770
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 115757840) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is c1nc(CNCC2(C3CC3)CC2)cs1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is IWBWGYATPQNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-9(1)11(3-4-11)7-12-5-10-6-14-8-13-10/h6,8-9,12H,1-5,7H2.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 115757840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).