4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine

C16H29N3OS — CID 103365281

IUPAC4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3OS/c1-10(2)20-12-13(17)19-21-14(12)18-11-7-15(3,4)9-16(5,6)8-11/h10-11,18H,7-9H2,1-6H3,(H2,17,19)
InChIKeyPDUSJIFAJSGMIJ-UHFFFAOYSA-N
MW311.50 g/mol
LogP4.53
Rot. Bonds4

About 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine

4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365281) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103365281
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3OS/c1-10(2)20-12-13(17)19-21-14(12)18-11-7-15(3,4)9-16(5,6)8-11/h10-11,18H,7-9H2,1-6H3,(H2,17,19)
InChIKeyPDUSJIFAJSGMIJ-UHFFFAOYSA-N
XLogP4.53
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103365281) is 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PDUSJIFAJSGMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-10(2)20-12-13(17)19-21-14(12)18-11-7-15(3,4)9-16(5,6)8-11/h10-11,18H,7-9H2,1-6H3,(H2,17,19).
What are the key properties of 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 311.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).