3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile

C11H16N4OS — CID 106138970

IUPAC3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCC1CCCC(O)C1
InChIInChI=1S/C11H16N4OS/c12-5-9-10(13)15-17-11(9)14-6-7-2-1-3-8(16)4-7/h7-8,14,16H,1-4,6H2,(H2,13,15)
InChIKeyUTYVFHGOZGPMIS-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 106138970) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID106138970
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCC1CCCC(O)C1
InChIInChI=1S/C11H16N4OS/c12-5-9-10(13)15-17-11(9)14-6-7-2-1-3-8(16)4-7/h7-8,14,16H,1-4,6H2,(H2,13,15)
InChIKeyUTYVFHGOZGPMIS-UHFFFAOYSA-N
XLogP1.56
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile (CID 106138970) is 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCC1CCCC(O)C1.
What is the InChIKey of 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is UTYVFHGOZGPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c12-5-9-10(13)15-17-11(9)14-6-7-2-1-3-8(16)4-7/h7-8,14,16H,1-4,6H2,(H2,13,15).
What are the key properties of 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 252.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 106138970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).