N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

C18H18N4O2S2 — CID 78811000

IUPACN'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-15(26-18(19-11)14-8-5-9-25-14)17(24)21-20-16(23)12-6-4-7-13(10-12)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24)
InChIKeyPOGCEQONQLJTTB-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.32
Rot. Bonds4

About N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 78811000) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID78811000
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-15(26-18(19-11)14-8-5-9-25-14)17(24)21-20-16(23)12-6-4-7-13(10-12)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24)
InChIKeyPOGCEQONQLJTTB-UHFFFAOYSA-N
XLogP3.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 134019539
4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 35065301
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-[(3-bromophenyl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55577849
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (CID 78811000) is N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is POGCEQONQLJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-15(26-18(19-11)14-8-5-9-25-14)17(24)21-20-16(23)12-6-4-7-13(10-12)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 386.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 78811000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).