N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

C19H21N5OS2 — CID 39773968

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(C)Cc1nnc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)s1
InChIInChI=1S/C19H21N5OS2/c1-13(2)10-18-23-24-19(27-18)22-16(25)8-9-26-17-11-15(20-12-21-17)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,22,24,25)
InChIKeyNNTZRYKDPAXHNG-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.31
Rot. Bonds8

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 39773968) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID39773968
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(C)Cc1nnc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)s1
InChIInChI=1S/C19H21N5OS2/c1-13(2)10-18-23-24-19(27-18)22-16(25)8-9-26-17-11-15(20-12-21-17)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,22,24,25)
InChIKeyNNTZRYKDPAXHNG-UHFFFAOYSA-N
XLogP4.31
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 39774014
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304963
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958
prop-2-enyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate
CID 46305004
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17257226
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (CID 39773968) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is CC(C)Cc1nnc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is NNTZRYKDPAXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-13(2)10-18-23-24-19(27-18)22-16(25)8-9-26-17-11-15(20-12-21-17)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 399.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 39773968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).