N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

C12H18N2S — CID 115757779

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(C3CC3)CC2)s1
InChIInChI=1S/C12H18N2S/c1-9-14-7-11(15-9)6-13-8-12(4-5-12)10-2-3-10/h7,10,13H,2-6,8H2,1H3
InChIKeyYBZOSRFBLQWWIQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.73
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 115757779) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID115757779
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(C3CC3)CC2)s1
InChIInChI=1S/C12H18N2S/c1-9-14-7-11(15-9)6-13-8-12(4-5-12)10-2-3-10/h7,10,13H,2-6,8H2,1H3
InChIKeyYBZOSRFBLQWWIQ-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113310210
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81170467
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
CID 79208325
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115757819
1-(2-methylcyclopentyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107417627
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 115757779) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncc(CNCC2(C3CC3)CC2)s1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is YBZOSRFBLQWWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-14-7-11(15-9)6-13-8-12(4-5-12)10-2-3-10/h7,10,13H,2-6,8H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.73, 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-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).