1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C14H20N4O3S — CID 97028116

IUPAC1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)s1
InChIInChI=1S/C14H20N4O3S/c1-3-5-12-17-18-14(22-12)16-13(20)15-9(2)8-10(19)11-6-4-7-21-11/h4,6-7,9-10,19H,3,5,8H2,1-2H3,(H2,15,16,18,20)/t9-,10-/m0/s1
InChIKeyYVXFVIJTVQGWMR-UWVGGRQHSA-N
MW324.41 g/mol
LogP2.72
Rot. Bonds7

About 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 97028116) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID97028116
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)s1
InChIInChI=1S/C14H20N4O3S/c1-3-5-12-17-18-14(22-12)16-13(20)15-9(2)8-10(19)11-6-4-7-21-11/h4,6-7,9-10,19H,3,5,8H2,1-2H3,(H2,15,16,18,20)/t9-,10-/m0/s1
InChIKeyYVXFVIJTVQGWMR-UWVGGRQHSA-N
XLogP2.72
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 97320817
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225360
3-methyl-2-(phenylcarbamoylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 78792498
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225359
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096557
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 110890926
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97072611
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 97028116) is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)s1.
What is the InChIKey of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is YVXFVIJTVQGWMR-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-3-5-12-17-18-14(22-12)16-13(20)15-9(2)8-10(19)11-6-4-7-21-11/h4,6-7,9-10,19H,3,5,8H2,1-2H3,(H2,15,16,18,20)/t9-,10-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 324.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 97028116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).