(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide

C9H15ClN4OS — CID 71983348

IUPAC(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCc1nnsc1Cl)C(N)=O
InChIInChI=1S/C9H15ClN4OS/c1-9(2,3)6(8(11)15)12-4-5-7(10)16-14-13-5/h6,12H,4H2,1-3H3,(H2,11,15)/t6-/m1/s1
InChIKeyGOYGCDUPJOSJFY-ZCFIWIBFSA-N
MW262.77 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide

(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide (PubChem CID 71983348) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
PubChem CID71983348
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCc1nnsc1Cl)C(N)=O
InChIInChI=1S/C9H15ClN4OS/c1-9(2,3)6(8(11)15)12-4-5-7(10)16-14-13-5/h6,12H,4H2,1-3H3,(H2,11,15)/t6-/m1/s1
InChIKeyGOYGCDUPJOSJFY-ZCFIWIBFSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide (CID 71983348) is (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide is CC(C)(C)[C@H](NCc1nnsc1Cl)C(N)=O.
What is the InChIKey of (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide?
The InChIKey is GOYGCDUPJOSJFY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15ClN4OS/c1-9(2,3)6(8(11)15)12-4-5-7(10)16-14-13-5/h6,12H,4H2,1-3H3,(H2,11,15)/t6-/m1/s1.
What are the key properties of (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide?
(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide has a molecular weight of 262.77 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide is sourced from PubChem (CID 71983348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).