2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C18H25N5OS — CID 131920115

IUPAC2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)C
InChIInChI=1S/C18H25N5OS/c1-11-8-9-25-16(11)14(23(2)3)10-20-17(24)15-12-6-4-5-7-13(12)21-18(19)22-15/h8-9,14H,4-7,10H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyOBEXOPNPROOSCS-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131920115) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131920115
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)C
InChIInChI=1S/C18H25N5OS/c1-11-8-9-25-16(11)14(23(2)3)10-20-17(24)15-12-6-4-5-7-13(12)21-18(19)22-15/h8-9,14H,4-7,10H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyOBEXOPNPROOSCS-UHFFFAOYSA-N
XLogP2.34
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
CID 95127765
N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97116216
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56885380
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N'-(2,5-dimethylphenyl)propanediamide
CID 50958954
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131922960
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70719444
3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 125436046
2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131926964
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 125157933
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131920115) is 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Cc1ccsc1C(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is OBEXOPNPROOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-11-8-9-25-16(11)14(23(2)3)10-20-17(24)15-12-6-4-5-7-13(12)21-18(19)22-15/h8-9,14H,4-7,10H2,1-3H3,(H,20,24)(H2,19,21,22).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131920115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).