trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium

C12H15N4OS+ — CID 155924019

IUPACtrimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
SMILESC[N+](C)(C)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H14N4OS/c1-16(2,3)12(17)15-11-14-10(8-18-11)9-6-4-5-7-13-9/h4-8H,1-3H3/p+1
InChIKeyWCNAZCMOCXLNTJ-UHFFFAOYSA-O
MW263.35 g/mol
LogP2.44
Rot. Bonds2

About trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium

trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium (PubChem CID 155924019) has the molecular formula C12H15N4OS+ and a molecular weight of 263.35 g/mol. Its IUPAC name is trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
PubChem CID155924019
Molecular FormulaC12H15N4OS+
Molecular Weight263.35 g/mol
Exact Mass263.10
IUPAC Nametrimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
SMILESC[N+](C)(C)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H14N4OS/c1-16(2,3)12(17)15-11-14-10(8-18-11)9-6-4-5-7-13-9/h4-8H,1-3H3/p+1
InChIKeyWCNAZCMOCXLNTJ-UHFFFAOYSA-O
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 16582919
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium?
The IUPAC name of trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium (CID 155924019) is trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium.
What is the SMILES notation for trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium?
The canonical SMILES for trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium is C[N+](C)(C)C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium?
The InChIKey is WCNAZCMOCXLNTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N4OS/c1-16(2,3)12(17)15-11-14-10(8-18-11)9-6-4-5-7-13-9/h4-8H,1-3H3/p+1.
What are the key properties of trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium?
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium has a molecular weight of 263.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium is sourced from PubChem (CID 155924019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).