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

C14H18N6OS — CID 53498401

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCc1nnc(NC(=O)NCc2ccnc(N3CCCC3)c2)s1
InChIInChI=1S/C14H18N6OS/c1-10-18-19-14(22-10)17-13(21)16-9-11-4-5-15-12(8-11)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17,19,21)
InChIKeyHYEQIWSTJNTDGS-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.16
Rot. Bonds4

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 53498401) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID53498401
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCc1nnc(NC(=O)NCc2ccnc(N3CCCC3)c2)s1
InChIInChI=1S/C14H18N6OS/c1-10-18-19-14(22-10)17-13(21)16-9-11-4-5-15-12(8-11)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17,19,21)
InChIKeyHYEQIWSTJNTDGS-UHFFFAOYSA-N
XLogP2.16
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 47038251
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111504417
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 53498401) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is Cc1nnc(NC(=O)NCc2ccnc(N3CCCC3)c2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is HYEQIWSTJNTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-18-19-14(22-10)17-13(21)16-9-11-4-5-15-12(8-11)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17,19,21).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 318.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 53498401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).