2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol

C14H18ClN3OS — CID 133473114

IUPAC2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCCCc1nnc(NCC(C)(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H18ClN3OS/c1-3-5-12-17-18-13(20-12)16-9-14(2,19)10-6-4-7-11(15)8-10/h4,6-8,19H,3,5,9H2,1-2H3,(H,16,18)
InChIKeyFFDRCMZTQDGBLH-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol

2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (PubChem CID 133473114) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
PubChem CID133473114
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCCCc1nnc(NCC(C)(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H18ClN3OS/c1-3-5-12-17-18-13(20-12)16-9-14(2,19)10-6-4-7-11(15)8-10/h4,6-8,19H,3,5,9H2,1-2H3,(H,16,18)
InChIKeyFFDRCMZTQDGBLH-UHFFFAOYSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972
2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473007
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473051
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
3-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133473151
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
CID 2072795
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
1-(3-chlorophenyl)-3-(5-undecyl-1,3,4-thiadiazol-2-yl)urea
CID 3849762
2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
CID 133473147

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (CID 133473114) is 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is CCCc1nnc(NCC(C)(O)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The InChIKey is FFDRCMZTQDGBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-5-12-17-18-13(20-12)16-9-14(2,19)10-6-4-7-11(15)8-10/h4,6-8,19H,3,5,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol has a molecular weight of 311.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133473114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).