2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide

C19H23N3O2S — CID 99996343

IUPAC2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cs1
InChIInChI=1S/C19H23N3O2S/c1-20-18-22-15(12-25-18)17(23)21-14-11-19(9-5-2-6-10-19)24-16-8-4-3-7-13(14)16/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyXWIIBBXUFJMCRR-AWEZNQCLSA-N
MW357.48 g/mol
LogP4.14
Rot. Bonds3

About 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide

2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 99996343) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID99996343
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cs1
InChIInChI=1S/C19H23N3O2S/c1-20-18-22-15(12-25-18)17(23)21-14-11-19(9-5-2-6-10-19)24-16-8-4-3-7-13(14)16/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyXWIIBBXUFJMCRR-AWEZNQCLSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
CID 118780791
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide (CID 99996343) is 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cs1.
What is the InChIKey of 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XWIIBBXUFJMCRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-20-18-22-15(12-25-18)17(23)21-14-11-19(9-5-2-6-10-19)24-16-8-4-3-7-13(14)16/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide?
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99996343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).