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

C14H20N4OS2 — CID 95132332

IUPAC(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1nc(CN(C)[C@@H](C)C(=O)Nc2nccs2)cs1
InChIInChI=1S/C14H20N4OS2/c1-9(2)13-16-11(8-21-13)7-18(4)10(3)12(19)17-14-15-5-6-20-14/h5-6,8-10H,7H2,1-4H3,(H,15,17,19)/t10-/m0/s1
InChIKeyQVAVRIOYNFNJKV-JTQLQIEISA-N
MW324.48 g/mol
LogP3.18
Rot. Bonds6

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

(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95132332) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95132332
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1nc(CN(C)[C@@H](C)C(=O)Nc2nccs2)cs1
InChIInChI=1S/C14H20N4OS2/c1-9(2)13-16-11(8-21-13)7-18(4)10(3)12(19)17-14-15-5-6-20-14/h5-6,8-10H,7H2,1-4H3,(H,15,17,19)/t10-/m0/s1
InChIKeyQVAVRIOYNFNJKV-JTQLQIEISA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.18
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-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (CID 95132332) is (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is CC(C)c1nc(CN(C)[C@@H](C)C(=O)Nc2nccs2)cs1.
What is the InChIKey of (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QVAVRIOYNFNJKV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9(2)13-16-11(8-21-13)7-18(4)10(3)12(19)17-14-15-5-6-20-14/h5-6,8-10H,7H2,1-4H3,(H,15,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 324.48 g/mol, XLogP of 3.18, 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-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95132332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).