1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea

C14H18N4O2S2 — CID 24746846

IUPAC1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
InChIInChI=1S/C14H18N4O2S2/c1-14(2,3)21-13-17-12(22-18-13)16-11(19)15-9-6-5-7-10(8-9)20-4/h5-8H,1-4H3,(H2,15,16,17,18,19)
InChIKeyMPCYMWBLAGJBNJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea

1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea (PubChem CID 24746846) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea
PubChem CID24746846
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
InChIInChI=1S/C14H18N4O2S2/c1-14(2,3)21-13-17-12(22-18-13)16-11(19)15-9-6-5-7-10(8-9)20-4/h5-8H,1-4H3,(H2,15,16,17,18,19)
InChIKeyMPCYMWBLAGJBNJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea (CID 24746846) is 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1.
What is the InChIKey of 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is MPCYMWBLAGJBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-14(2,3)21-13-17-12(22-18-13)16-11(19)15-9-6-5-7-10(8-9)20-4/h5-8H,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea?
1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 338.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 24746846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).