N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C10H15N3O2S — CID 86814871

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H](C)C(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c1-5(2)10-13-7(4-16-10)9(15)12-6(3)8(11)14/h4-6H,1-3H3,(H2,11,14)(H,12,15)/t6-/m0/s1
InChIKeyJFTFELCNRSNQTA-LURJTMIESA-N
MW241.32 g/mol
LogP0.87
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86814871) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86814871
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H](C)C(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c1-5(2)10-13-7(4-16-10)9(15)12-6(3)8(11)14/h4-6H,1-3H3,(H2,11,14)(H,12,15)/t6-/m0/s1
InChIKeyJFTFELCNRSNQTA-LURJTMIESA-N
XLogP0.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
Cobicistat metabolite M9.1
CID 69479782
(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 12115032
(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 72793833
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
2-bromo-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168278291
2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
Dimethyl(3-(((2'-methyl(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)sulfonium chloride
CID 72644
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
2-methyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1,3-thiazole-4-carboxamide
CID 50956211

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 86814871) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)N[C@@H](C)C(N)=O)cs1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JFTFELCNRSNQTA-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5(2)10-13-7(4-16-10)9(15)12-6(3)8(11)14/h4-6H,1-3H3,(H2,11,14)(H,12,15)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86814871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).