3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide

C10H17N3OS2 — CID 62625727

IUPAC3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCc1nc(N)sc1SCCC(=O)NC(C)C
InChIInChI=1S/C10H17N3OS2/c1-6(2)12-8(14)4-5-15-9-7(3)13-10(11)16-9/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyXTDZDPYNWOZVSZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.04
Rot. Bonds5

About 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide (PubChem CID 62625727) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
PubChem CID62625727
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCc1nc(N)sc1SCCC(=O)NC(C)C
InChIInChI=1S/C10H17N3OS2/c1-6(2)12-8(14)4-5-15-9-7(3)13-10(11)16-9/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyXTDZDPYNWOZVSZ-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
CID 43250458
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
CID 106725560
methyl 2-acetamido-3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]propanoate
CID 65443394
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43250724
4-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]butanoic acid
CID 43250453
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(cyanomethyl)acetamide
CID 24707081
ethyl N-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]carbamate
CID 43250606
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 24703937
methyl 4-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]butanoate
CID 43250665

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide (CID 62625727) is 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide is Cc1nc(N)sc1SCCC(=O)NC(C)C.
What is the InChIKey of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide?
The InChIKey is XTDZDPYNWOZVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-6(2)12-8(14)4-5-15-9-7(3)13-10(11)16-9/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide?
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide has a molecular weight of 259.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).