(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone

C11H16N2OS — CID 164647354

IUPAC(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)c2cnsc2)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-2-4-11(12,5-8)10(14)9-6-13-15-7-9/h6-8H,2-5,12H2,1H3
InChIKeyKBDOHPINHQGVPQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.23
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone

(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone (PubChem CID 164647354) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone
PubChem CID164647354
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone
SMILESCC1CCCC(N)(C(=O)c2cnsc2)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-2-4-11(12,5-8)10(14)9-6-13-15-7-9/h6-8H,2-5,12H2,1H3
InChIKeyKBDOHPINHQGVPQ-UHFFFAOYSA-N
XLogP2.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone (CID 164647354) is (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone is CC1CCCC(N)(C(=O)c2cnsc2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is KBDOHPINHQGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-3-2-4-11(12,5-8)10(14)9-6-13-15-7-9/h6-8H,2-5,12H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone?
(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 164647354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).