(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide

C13H18N4OS2 — CID 124756266

IUPAC(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ncsc1CCN(C)[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C13H18N4OS2/c1-9-11(20-8-15-9)4-6-17(3)10(2)12(18)16-13-14-5-7-19-13/h5,7-8,10H,4,6H2,1-3H3,(H,14,16,18)/t10-/m0/s1
InChIKeySHTBNXRAOHXHJL-JTQLQIEISA-N
MW310.45 g/mol
LogP2.41
Rot. Bonds6

About (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 124756266) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID124756266
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ncsc1CCN(C)[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C13H18N4OS2/c1-9-11(20-8-15-9)4-6-17(3)10(2)12(18)16-13-14-5-7-19-13/h5,7-8,10H,4,6H2,1-3H3,(H,14,16,18)/t10-/m0/s1
InChIKeySHTBNXRAOHXHJL-JTQLQIEISA-N
XLogP2.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide (CID 124756266) is (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1ncsc1CCN(C)[C@@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SHTBNXRAOHXHJL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-9-11(20-8-15-9)4-6-17(3)10(2)12(18)16-13-14-5-7-19-13/h5,7-8,10H,4,6H2,1-3H3,(H,14,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 310.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 124756266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).