1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea

C11H13N5OS — CID 110491785

IUPAC1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
SMILESCCCc1nnc(NC(=O)Nc2ccccn2)s1
InChIInChI=1S/C11H13N5OS/c1-2-5-9-15-16-11(18-9)14-10(17)13-8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H2,12,13,14,16,17)
InChIKeyLVVDPNYBGPREHI-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.53
Rot. Bonds4

About 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea

1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea (PubChem CID 110491785) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
PubChem CID110491785
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
SMILESCCCc1nnc(NC(=O)Nc2ccccn2)s1
InChIInChI=1S/C11H13N5OS/c1-2-5-9-15-16-11(18-9)14-10(17)13-8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H2,12,13,14,16,17)
InChIKeyLVVDPNYBGPREHI-UHFFFAOYSA-N
XLogP2.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
1-(4-nitrophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 3099816
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3477268
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 86987720

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea (CID 110491785) is 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea is CCCc1nnc(NC(=O)Nc2ccccn2)s1.
What is the InChIKey of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea?
The InChIKey is LVVDPNYBGPREHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-2-5-9-15-16-11(18-9)14-10(17)13-8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H2,12,13,14,16,17).
What are the key properties of 1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea?
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea has a molecular weight of 263.33 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-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).