4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H21N5OS — CID 71936882

IUPAC4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)CC1
InChIInChI=1S/C16H21N5OS/c1-2-6-20-7-9-21(10-8-20)16(22)19-15-18-14(12-23-15)13-4-3-5-17-11-13/h3-5,11-12H,2,6-10H2,1H3,(H,18,19,22)
InChIKeyYGRWMSWSGJQEBJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.76
Rot. Bonds4

About 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 71936882) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID71936882
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)CC1
InChIInChI=1S/C16H21N5OS/c1-2-6-20-7-9-21(10-8-20)16(22)19-15-18-14(12-23-15)13-4-3-5-17-11-13/h3-5,11-12H,2,6-10H2,1H3,(H,18,19,22)
InChIKeyYGRWMSWSGJQEBJ-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875156
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875159
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
(2R)-2-[(1-methylimidazol-2-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166314321
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 143651780

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 71936882) is 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CCCN1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)CC1.
What is the InChIKey of 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is YGRWMSWSGJQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-6-20-7-9-21(10-8-20)16(22)19-15-18-14(12-23-15)13-4-3-5-17-11-13/h3-5,11-12H,2,6-10H2,1H3,(H,18,19,22).
What are the key properties of 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71936882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).