1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C15H21N3OS — CID 47103624

IUPAC1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3OS/c1-9-8-20-14(16-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyGZINVYLOJRBPTG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.54
Rot. Bonds2

About 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47103624) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47103624
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3OS/c1-9-8-20-14(16-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyGZINVYLOJRBPTG-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4140053
1-(2-Adamantyl)-3-(4-methylthiazol-2-yl)urea
CID 71603058
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide
CID 2836033
N-adamantyl-4-methylthiazol-2-amine
CID 129848746
N-((1s,3s)-adamantan-1-yl)-4-(t-butyl)thiazol-2-amine
CID 171665763
1-(1-Adamantyl)-3-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]urea
CID 9318007
N-[(4-methyl-1,3-thiazol-2-yl)carbamothioyl]adamantane-1-carboxamide
CID 17565320
2-(1-Adamantylamino)-1,3-thiazole-4-carbaldehyde
CID 89847974
3-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 141421067
2-(1-adamantylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 141421069
1-(3,5-Dimethyl-1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 141500208
2-[1-adamantylcarbamoyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4056464

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47103624) is 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is GZINVYLOJRBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9-8-20-14(16-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 291.42 g/mol, XLogP of 3.54, 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-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47103624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).