1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea

C15H21N5OS — CID 47076646

IUPAC1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)(C)n1ncc2c1CCCC2NC(=O)Nc1nccs1
InChIInChI=1S/C15H21N5OS/c1-15(2,3)20-12-6-4-5-11(10(12)9-17-20)18-13(21)19-14-16-7-8-22-14/h7-9,11H,4-6H2,1-3H3,(H2,16,18,19,21)
InChIKeyDQVUQWZKQAJHGJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.29
Rot. Bonds2

About 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 47076646) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID47076646
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)(C)n1ncc2c1CCCC2NC(=O)Nc1nccs1
InChIInChI=1S/C15H21N5OS/c1-15(2,3)20-12-6-4-5-11(10(12)9-17-20)18-13(21)19-14-16-7-8-22-14/h7-9,11H,4-6H2,1-3H3,(H2,16,18,19,21)
InChIKeyDQVUQWZKQAJHGJ-UHFFFAOYSA-N
XLogP3.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide
CID 71928655
(2R)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 121537479
N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 164633740
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
1-(1-Benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874844
1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592531
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 146138412
3-(4-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]urea
CID 167904970
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71865032
3-(3-methyl-2,3,4,5-tetrahydropyridin-4-yl)-N-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 123841825

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea (CID 47076646) is 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea is CC(C)(C)n1ncc2c1CCCC2NC(=O)Nc1nccs1.
What is the InChIKey of 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is DQVUQWZKQAJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-15(2,3)20-12-6-4-5-11(10(12)9-17-20)18-13(21)19-14-16-7-8-22-14/h7-9,11H,4-6H2,1-3H3,(H2,16,18,19,21).
What are the key properties of 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 319.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47076646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).