1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea

C16H26N4OS — CID 47048319

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
SMILESCC1CCC(C(C)C)C(NC(=O)Nc2nnc(C3CC3)s2)C1
InChIInChI=1S/C16H26N4OS/c1-9(2)12-7-4-10(3)8-13(12)17-15(21)18-16-20-19-14(22-16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H2,17,18,20,21)
InChIKeyQEVAXGFWJIEUGD-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.00
Rot. Bonds4

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea (PubChem CID 47048319) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
PubChem CID47048319
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
SMILESCC1CCC(C(C)C)C(NC(=O)Nc2nnc(C3CC3)s2)C1
InChIInChI=1S/C16H26N4OS/c1-9(2)12-7-4-10(3)8-13(12)17-15(21)18-16-20-19-14(22-16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H2,17,18,20,21)
InChIKeyQEVAXGFWJIEUGD-UHFFFAOYSA-N
XLogP4.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea with MolForge

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,2R)-2-ethylsulfanylcyclopentyl]urea
CID 97030065
cis-methyl (1S,2R)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylate
CID 95971777
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylthiourea
CID 6585213
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 47197734

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea (CID 47048319) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea is CC1CCC(C(C)C)C(NC(=O)Nc2nnc(C3CC3)s2)C1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The InChIKey is QEVAXGFWJIEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-9(2)12-7-4-10(3)8-13(12)17-15(21)18-16-20-19-14(22-16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea has a molecular weight of 322.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 47048319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).