N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide

C18H20N4OS — CID 75358491

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide
SMILESCc1ccc2c(cnn2CCC(=O)NCc2csc(C3CC3)n2)c1
InChIInChI=1S/C18H20N4OS/c1-12-2-5-16-14(8-12)9-20-22(16)7-6-17(23)19-10-15-11-24-18(21-15)13-3-4-13/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H,19,23)
InChIKeyBGNABBOWISHDSO-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.39
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide (PubChem CID 75358491) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide
PubChem CID75358491
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide
SMILESCc1ccc2c(cnn2CCC(=O)NCc2csc(C3CC3)n2)c1
InChIInChI=1S/C18H20N4OS/c1-12-2-5-16-14(8-12)9-20-22(16)7-6-17(23)19-10-15-11-24-18(21-15)13-3-4-13/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H,19,23)
InChIKeyBGNABBOWISHDSO-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide (CID 75358491) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide is Cc1ccc2c(cnn2CCC(=O)NCc2csc(C3CC3)n2)c1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide?
The InChIKey is BGNABBOWISHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-2-5-16-14(8-12)9-20-22(16)7-6-17(23)19-10-15-11-24-18(21-15)13-3-4-13/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H,19,23).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methylindazol-1-yl)propanamide is sourced from PubChem (CID 75358491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).