1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea

C21H24N6S — CID 156770181

IUPAC1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea
SMILESCC(Nc1ccc2cnc(NC(=S)NC3CCCC3)nc2c1)c1cccnc1
InChIInChI=1S/C21H24N6S/c1-14(15-5-4-10-22-12-15)24-18-9-8-16-13-23-20(26-19(16)11-18)27-21(28)25-17-6-2-3-7-17/h4-5,8-14,17,24H,2-3,6-7H2,1H3,(H2,23,25,26,27,28)
InChIKeyCWSIXNLHVXEPHC-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.43
Rot. Bonds5

About 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea

1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea (PubChem CID 156770181) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea
PubChem CID156770181
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea
SMILESCC(Nc1ccc2cnc(NC(=S)NC3CCCC3)nc2c1)c1cccnc1
InChIInChI=1S/C21H24N6S/c1-14(15-5-4-10-22-12-15)24-18-9-8-16-13-23-20(26-19(16)11-18)27-21(28)25-17-6-2-3-7-17/h4-5,8-14,17,24H,2-3,6-7H2,1H3,(H2,23,25,26,27,28)
InChIKeyCWSIXNLHVXEPHC-UHFFFAOYSA-N
XLogP4.43
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
CID 156770187
3-cyclopentyl-1-[7-[[(1R)-1-(3-fluorophenyl)ethyl]amino]quinazolin-2-yl]-1-methylurea
CID 175132059
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 156770167
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea (CID 156770181) is 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea is CC(Nc1ccc2cnc(NC(=S)NC3CCCC3)nc2c1)c1cccnc1.
What is the InChIKey of 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea?
The InChIKey is CWSIXNLHVXEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-14(15-5-4-10-22-12-15)24-18-9-8-16-13-23-20(26-19(16)11-18)27-21(28)25-17-6-2-3-7-17/h4-5,8-14,17,24H,2-3,6-7H2,1H3,(H2,23,25,26,27,28).
What are the key properties of 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea?
1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea has a molecular weight of 392.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea is sourced from PubChem (CID 156770181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).