(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide

C12H22N4OS — CID 119801961

IUPAC(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1nnc(C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-7(2)5-9(13)11(17)14-6-10-15-16-12(18-10)8(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,17)/t9-/m0/s1
InChIKeyBSJBQLXVYMJMLQ-VIFPVBQESA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide (PubChem CID 119801961) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide
PubChem CID119801961
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1nnc(C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-7(2)5-9(13)11(17)14-6-10-15-16-12(18-10)8(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,17)/t9-/m0/s1
InChIKeyBSJBQLXVYMJMLQ-VIFPVBQESA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide (CID 119801961) is (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1nnc(C(C)C)s1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide?
The InChIKey is BSJBQLXVYMJMLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N4OS/c1-7(2)5-9(13)11(17)14-6-10-15-16-12(18-10)8(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide has a molecular weight of 270.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 119801961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).