3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

C16H19N3OS — CID 24611789

IUPAC3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H19N3OS/c20-15(9-8-12-5-4-10-17-11-12)19-16-18-13-6-2-1-3-7-14(13)21-16/h4-5,10-11H,1-3,6-9H2,(H,18,19,20)
InChIKeyKWHUIDBKKMUONS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.38
Rot. Bonds4

About 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 24611789) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
PubChem CID24611789
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H19N3OS/c20-15(9-8-12-5-4-10-17-11-12)19-16-18-13-6-2-1-3-7-14(13)21-16/h4-5,10-11H,1-3,6-9H2,(H,18,19,20)
InChIKeyKWHUIDBKKMUONS-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridin-3-ylpropanamide
CID 33040096
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856
3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
CID 82133863
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
3-cyclohexyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 3626009
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47071312
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (CID 24611789) is 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is O=C(CCc1cccnc1)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is KWHUIDBKKMUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(9-8-12-5-4-10-17-11-12)19-16-18-13-6-2-1-3-7-14(13)21-16/h4-5,10-11H,1-3,6-9H2,(H,18,19,20).
What are the key properties of 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 301.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 24611789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).