4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C13H17N5S — CID 72881580

IUPAC4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(Cc1nccs1)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C13H17N5S/c1-18(8-11-15-6-7-19-11)12-9-4-2-3-5-10(9)16-13(14)17-12/h6-7H,2-5,8H2,1H3,(H2,14,16,17)
InChIKeyALDCFBHFQXOCEQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.03
Rot. Bonds3

About 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 72881580) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID72881580
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(Cc1nccs1)c1nc(N)nc2c1CCCC2
InChIInChI=1S/C13H17N5S/c1-18(8-11-15-6-7-19-11)12-9-4-2-3-5-10(9)16-13(14)17-12/h6-7H,2-5,8H2,1H3,(H2,14,16,17)
InChIKeyALDCFBHFQXOCEQ-UHFFFAOYSA-N
XLogP2.03
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

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Related Compounds

7-(cyclopentylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 56909323
N~4~-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72888607
7-(cyclopropylmethyl)-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56882870
2-[(4-Ethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole
CID 97381262
N-ethyl-N-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97381450
2-[(4-Methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole
CID 97515927
N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516349
N-ethyl-N-methyl-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516756
US10196391, Example 119
CID 121455939
(7S)-7-methyl-6,7,8,9-tetrahydro-[1,3]thiazolo[3,2-a]quinazolin-10-ium
CID 853317
2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 53540107
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 53572127

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 72881580) is 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CN(Cc1nccs1)c1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is ALDCFBHFQXOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-18(8-11-15-6-7-19-11)12-9-4-2-3-5-10(9)16-13(14)17-12/h6-7H,2-5,8H2,1H3,(H2,14,16,17).
What are the key properties of 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 72881580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).