(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

C12H14ClN3OS — CID 139041198

IUPAC(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCc1ccc(Nc2nc(C[C@H](C)O)ns2)cc1Cl
InChIInChI=1S/C12H14ClN3OS/c1-7-3-4-9(6-10(7)13)14-12-15-11(16-18-12)5-8(2)17/h3-4,6,8,17H,5H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyMYXMKSMXDMBBTE-QMMMGPOBSA-N
MW283.78 g/mol
LogP3.17
Rot. Bonds4

About (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (PubChem CID 139041198) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
PubChem CID139041198
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCc1ccc(Nc2nc(C[C@H](C)O)ns2)cc1Cl
InChIInChI=1S/C12H14ClN3OS/c1-7-3-4-9(6-10(7)13)14-12-15-11(16-18-12)5-8(2)17/h3-4,6,8,17H,5H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyMYXMKSMXDMBBTE-QMMMGPOBSA-N
XLogP3.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol with MolForge

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine
CID 6188001
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
(2R)-2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41137951
3-[2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94777032
1-[5-(3,5-dimethylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 858319
5-(3-chloro-4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
CID 7131482
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxybenzoic acid
CID 107208965
3-N-butan-2-yl-5-N-(3-chloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940963

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The IUPAC name of (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (CID 139041198) is (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is Cc1ccc(Nc2nc(C[C@H](C)O)ns2)cc1Cl.
What is the InChIKey of (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The InChIKey is MYXMKSMXDMBBTE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-7-3-4-9(6-10(7)13)14-12-15-11(16-18-12)5-8(2)17/h3-4,6,8,17H,5H2,1-2H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol has a molecular weight of 283.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 139041198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).