1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea

C14H19N3OS — CID 4686891

IUPAC1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H19N3OS/c18-12(16-13-15-1-2-19-13)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18)
InChIKeyCEPVJDPYPKTWKB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.23
Rot. Bonds2

About 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea

1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 4686891) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID4686891
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H19N3OS/c18-12(16-13-15-1-2-19-13)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18)
InChIKeyCEPVJDPYPKTWKB-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003031
1-(1-Adamantyl)-3-(5-methylthiazol-2-yl)urea
CID 47103132
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 585608
Cambridge id 6046138
CID 2882356
Cambridge id 5523020
CID 2741141
Cambridge id 7189530
CID 2929826
3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4142732
1-[4,4-Difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,3-thiazol-2-yl)urea
CID 166292389
2-[1-Adamantylmethyl]aminothiazole
CID 556569
1-[(3S,5R)-3,5-dimethylcyclohexyl]-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea
CID 11371519
1,1-Bis(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea
CID 11439077

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea (CID 4686891) is 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is CEPVJDPYPKTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-12(16-13-15-1-2-19-13)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18).
What are the key properties of 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea?
1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 277.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4686891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).