N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide

C16H21N5OS — CID 71708468

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H21N5OS/c22-14(21-16-20-12-6-4-7-13(12)23-16)8-2-1-3-9-17-15-18-10-5-11-19-15/h5,10-11H,1-4,6-9H2,(H,17,18,19)(H,20,21,22)
InChIKeyYXQDLOVOXRIJIS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.03
Rot. Bonds8

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide (PubChem CID 71708468) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide
PubChem CID71708468
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H21N5OS/c22-14(21-16-20-12-6-4-7-13(12)23-16)8-2-1-3-9-17-15-18-10-5-11-19-15/h5,10-11H,1-4,6-9H2,(H,17,18,19)(H,20,21,22)
InChIKeyYXQDLOVOXRIJIS-UHFFFAOYSA-N
XLogP3.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridin-3-ylpropanamide
CID 33040096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 56762950

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide (CID 71708468) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide is O=C(CCCCCNc1ncccn1)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The InChIKey is YXQDLOVOXRIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-14(21-16-20-12-6-4-7-13(12)23-16)8-2-1-3-9-17-15-18-10-5-11-19-15/h5,10-11H,1-4,6-9H2,(H,17,18,19)(H,20,21,22).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide has a molecular weight of 331.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide is sourced from PubChem (CID 71708468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).