(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide

C12H12Cl2N4OS — CID 97088815

IUPAC(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
SMILESC[C@@](NCc1nnsc1Cl)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H12Cl2N4OS/c1-12(11(15)19,7-3-2-4-8(13)5-7)16-6-9-10(14)20-18-17-9/h2-5,16H,6H2,1H3,(H2,15,19)/t12-/m0/s1
InChIKeyWZBMMIJVRNMKTI-LBPRGKRZSA-N
MW331.23 g/mol
LogP2.34
Rot. Bonds5

About (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide

(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide (PubChem CID 97088815) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
PubChem CID97088815
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC Name(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
SMILESC[C@@](NCc1nnsc1Cl)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H12Cl2N4OS/c1-12(11(15)19,7-3-2-4-8(13)5-7)16-6-9-10(14)20-18-17-9/h2-5,16H,6H2,1H3,(H2,15,19)/t12-/m0/s1
InChIKeyWZBMMIJVRNMKTI-LBPRGKRZSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
CID 75520512
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide
CID 71861458
(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
CID 71983348
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide (CID 97088815) is (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide is C[C@@](NCc1nnsc1Cl)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide?
The InChIKey is WZBMMIJVRNMKTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c1-12(11(15)19,7-3-2-4-8(13)5-7)16-6-9-10(14)20-18-17-9/h2-5,16H,6H2,1H3,(H2,15,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide?
(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide has a molecular weight of 331.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 97088815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).