[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone

C14H17N5OS — CID 136558730

IUPAC[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3nc(N(C)C)sc3C2)ncn1
InChIInChI=1S/C14H17N5OS/c1-9-6-11(16-8-15-9)13(20)19-5-4-10-12(7-19)21-14(17-10)18(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyWRHFCRXBUCOTLQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.51
Rot. Bonds2

About [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone

[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone (PubChem CID 136558730) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone
PubChem CID136558730
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3nc(N(C)C)sc3C2)ncn1
InChIInChI=1S/C14H17N5OS/c1-9-6-11(16-8-15-9)13(20)19-5-4-10-12(7-19)21-14(17-10)18(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyWRHFCRXBUCOTLQ-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524968
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70715252
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97410610
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527382
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576493
[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 92628891
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone?
The IUPAC name of [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone (CID 136558730) is [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCc3nc(N(C)C)sc3C2)ncn1.
What is the InChIKey of [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone?
The InChIKey is WRHFCRXBUCOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-6-11(16-8-15-9)13(20)19-5-4-10-12(7-19)21-14(17-10)18(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone?
[2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(6-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 136558730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).