1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C12H17N3O3S2 — CID 9086988

IUPAC1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C12H17N3O3S2/c1-7(6-18-3)13-12(19)15-14-11(17)10-5-4-9(20-10)8(2)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H2,13,15,19)/t7-/m1/s1
InChIKeyTXZXIPGYHOIBNM-SSDOTTSWSA-N
MW315.42 g/mol
LogP1.09
Rot. Bonds5

About 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9086988) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9086988
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C12H17N3O3S2/c1-7(6-18-3)13-12(19)15-14-11(17)10-5-4-9(20-10)8(2)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H2,13,15,19)/t7-/m1/s1
InChIKeyTXZXIPGYHOIBNM-SSDOTTSWSA-N
XLogP1.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18169787
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478408
1-[(2R)-1-methoxypropan-2-yl]-3-[(2,4,5-trimethoxybenzoyl)amino]thiourea
CID 9478668
1-[(2-benzoylbenzoyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086909
1-[(3-methoxy-4-methylbenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086949
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452
1-[[2-(4-bromophenyl)acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478675
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
CID 9478376
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477966
1-[(2-chloro-5-nitrobenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478236
1-[(2S)-1-methoxypropan-2-yl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea
CID 9478780
1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477944

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9086988) is 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is COC[C@@H](C)NC(=S)NNC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is TXZXIPGYHOIBNM-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-7(6-18-3)13-12(19)15-14-11(17)10-5-4-9(20-10)8(2)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H2,13,15,19)/t7-/m1/s1.
What are the key properties of 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 315.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetylthiophene-2-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9086988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).