N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C19H17F2N5OS — CID 30342719

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1nccn1C(F)F
InChIInChI=1S/C19H17F2N5OS/c1-11-16(17-22-8-9-26(17)18(20)21)28-19(24-11)25-15(27)7-6-12-10-23-14-5-3-2-4-13(12)14/h2-5,8-10,18,23H,6-7H2,1H3,(H,24,25,27)
InChIKeyLNDOSZXKCNJPAT-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.76
Rot. Bonds6

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 30342719) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID30342719
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1nccn1C(F)F
InChIInChI=1S/C19H17F2N5OS/c1-11-16(17-22-8-9-26(17)18(20)21)28-19(24-11)25-15(27)7-6-12-10-23-14-5-3-2-4-13(12)14/h2-5,8-10,18,23H,6-7H2,1H3,(H,24,25,27)
InChIKeyLNDOSZXKCNJPAT-UHFFFAOYSA-N
XLogP4.76
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 31519947
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
CID 39023747
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 30371053
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672555
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16551690
2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 55519700
1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 24626207
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 30342719) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is LNDOSZXKCNJPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c1-11-16(17-22-8-9-26(17)18(20)21)28-19(24-11)25-15(27)7-6-12-10-23-14-5-3-2-4-13(12)14/h2-5,8-10,18,23H,6-7H2,1H3,(H,24,25,27).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 401.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 30342719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).