1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

C14H19N5OS — CID 72856962

IUPAC1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2nnc(C)s2)c(C)n1
InChIInChI=1S/C14H19N5OS/c1-8-7-9(2)16-10(3)13(8)17-14(20)15-6-5-12-19-18-11(4)21-12/h7H,5-6H2,1-4H3,(H2,15,17,20)
InChIKeySXTMJRNDIXBZQC-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (PubChem CID 72856962) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
PubChem CID72856962
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2nnc(C)s2)c(C)n1
InChIInChI=1S/C14H19N5OS/c1-8-7-9(2)16-10(3)13(8)17-14(20)15-6-5-12-19-18-11(4)21-12/h7H,5-6H2,1-4H3,(H2,15,17,20)
InChIKeySXTMJRNDIXBZQC-UHFFFAOYSA-N
XLogP2.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118769080
1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 154739597
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
CID 74233553
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 72888331
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea
CID 118785518
1-butyl-3-(2-chloro-4,6-dimethyl-3-pyridinyl)urea
CID 593495
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (CID 72856962) is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is Cc1cc(C)c(NC(=O)NCCc2nnc(C)s2)c(C)n1.
What is the InChIKey of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The InChIKey is SXTMJRNDIXBZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-7-9(2)16-10(3)13(8)17-14(20)15-6-5-12-19-18-11(4)21-12/h7H,5-6H2,1-4H3,(H2,15,17,20).
What are the key properties of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea has a molecular weight of 305.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is sourced from PubChem (CID 72856962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).