N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide

C19H26N6O2S — CID 167875217

IUPACN-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESCC(C)C1CCc2nc(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)sc2C1
InChIInChI=1S/C19H26N6O2S/c1-11(2)12-3-6-15-16(7-12)28-19(23-15)24-18(27)22-14-8-20-25(9-14)10-17(26)21-13-4-5-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyJRDJFPWWZBDYAE-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 167875217) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID167875217
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC NameN-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESCC(C)C1CCc2nc(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)sc2C1
InChIInChI=1S/C19H26N6O2S/c1-11(2)12-3-6-15-16(7-12)28-19(23-15)24-18(27)22-14-8-20-25(9-14)10-17(26)21-13-4-5-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyJRDJFPWWZBDYAE-UHFFFAOYSA-N
XLogP3.02
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide (CID 167875217) is N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide is CC(C)C1CCc2nc(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)sc2C1.
What is the InChIKey of N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is JRDJFPWWZBDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-11(2)12-3-6-15-16(7-12)28-19(23-15)24-18(27)22-14-8-20-25(9-14)10-17(26)21-13-4-5-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 167875217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).