N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide

C16H19N3OS — CID 19978164

IUPACN-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
SMILESCCCC1=C(C(=O)Nc2ccccc2)SC2=NCCCN21
InChIInChI=1S/C16H19N3OS/c1-2-7-13-14(21-16-17-10-6-11-19(13)16)15(20)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyMUWAXDRGFTVGHE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds4

About N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide

N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide (PubChem CID 19978164) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
PubChem CID19978164
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
SMILESCCCC1=C(C(=O)Nc2ccccc2)SC2=NCCCN21
InChIInChI=1S/C16H19N3OS/c1-2-7-13-14(21-16-17-10-6-11-19(13)16)15(20)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyMUWAXDRGFTVGHE-UHFFFAOYSA-N
XLogP3.45
TPSA44.70 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

BC11-38
CID 2052828
2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155145
7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
2-Butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3403301
6-[[ethyl-(4-Fluorophenyl)amino]methyl]-2,3-Dihydro-1~{h}-Cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-One
CID 118017713
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-prop-1-en-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009185
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009384
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 118010095
3-acetyl-7-[[ethyl(4-fluorophenyl)amino]methyl]-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118011037

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide (CID 19978164) is N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide is CCCC1=C(C(=O)Nc2ccccc2)SC2=NCCCN21.
What is the InChIKey of N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The InChIKey is MUWAXDRGFTVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-7-13-14(21-16-17-10-6-11-19(13)16)15(20)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-propyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).