[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

C16H21N5OS — CID 56819268

IUPAC[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1
InChIInChI=1S/C16H21N5OS/c1-19(2)15-4-3-13(9-17-15)16(22)21-7-5-20(6-8-21)10-14-11-23-12-18-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyRBRSDICQRFLEKZ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.56
Rot. Bonds4

About [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56819268) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID56819268
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1
InChIInChI=1S/C16H21N5OS/c1-19(2)15-4-3-13(9-17-15)16(22)21-7-5-20(6-8-21)10-14-11-23-12-18-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyRBRSDICQRFLEKZ-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
2-Ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470733
8-(2-Azanyl-1,3-Thiazol-4-Yl)-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567105
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
Dipyridodiazepinone deriv. 38
CID 463558

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 56819268) is [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RBRSDICQRFLEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-19(2)15-4-3-13(9-17-15)16(22)21-7-5-20(6-8-21)10-14-11-23-12-18-14/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 331.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56819268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).