N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine

C11H19N3S — CID 103970472

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
SMILESNCC1(CNc2nccs2)CCCCC1
InChIInChI=1S/C11H19N3S/c12-8-11(4-2-1-3-5-11)9-14-10-13-6-7-15-10/h6-7H,1-5,8-9,12H2,(H,13,14)
InChIKeyVYPLYBORODBMFC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.46
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine (PubChem CID 103970472) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
PubChem CID103970472
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
SMILESNCC1(CNc2nccs2)CCCCC1
InChIInChI=1S/C11H19N3S/c12-8-11(4-2-1-3-5-11)9-14-10-13-6-7-15-10/h6-7H,1-5,8-9,12H2,(H,13,14)
InChIKeyVYPLYBORODBMFC-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
CID 115457087
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 103970418
N-[(1-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107143585
N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 103970460
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386537
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696
4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 22185327
[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
CID 138023128

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine (CID 103970472) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine is NCC1(CNc2nccs2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VYPLYBORODBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-8-11(4-2-1-3-5-11)9-14-10-13-6-7-15-10/h6-7H,1-5,8-9,12H2,(H,13,14).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103970472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).